The unique property requirements needed when designing new materials and chemicals demand computer simulations on the atomic scale - experiment alone is simply too expensive.
Join us for a hands-on training exercise using the MedeA software environment. The exercises selected for this workshop are realistic and reasonable computational property predictions for metal/semiconductor interfaces, amorphous inorganic compounds, polymers and fluids in nanoporous materials.
Transport at interfaces: Schottky Barrier of Ni/Si(001) is Reduced by the Presence of Sulfur.
Study of the Interaction of a Photoresist on Silicon
Calculation of the Elastic Properties of a Polymer
Energy and Power Generation
Battery materials: Diffusivity of Li in LiCoO2
Steel and Metal Alloys
Mechanical Properties of Ti-Alloys (Gum metals)
Display and Lighting
Phosphors for Organic Light Emitting Diodes (OLED): Alq3
Thermodynamics of Fluids
Adsorption of H2O and Methane-Thiol in Nanoporous Materials
Vapor Liquid Equilibrium: Hydrogen Solubility in Cresol